[3-(phosphonomethoxy)-2-(6-sulfanylidene-3H-purin-9-yl)propoxy]methylphosphonic acid

Systemtic Name: [3-(phosphonomethoxy)-2-(6-sulfanylidene-3H-purin-9-yl)propoxy]methylphosphonic acid Openeye Name: [3-(phosphonomethoxy)-2-(6-thioxo-3H-purin-9-yl)propoxy]methylphosphonic acid CAS Name: [3-(phosphonomethoxy)-2-(6-sulfanylidene-3H-purin-9-yl)propoxy]methylphosphonic acid IUPAC Name: [3-(phosphonomethoxy)-2-(6-sulfanylidene-3H-purin-9-yl)propoxy]methylphosphonic acid Traditional Name: [3-(phosphonomethoxy)-2-(6-thioxo-3H-purin-9-yl)propoxy]methylphosphonic acid Formula: C10H16N4O8P2S MolecularWeight: 414.268562

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)C(COCP(=O)(O)O)COCP(=O)(O)O

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)C(COCP(=O)(O)O)COCP(=O)(O)O

InChI

InChI=1S/C10H16N4O8P2S/c15-23(16,17)5-21-1-7(2-22-6-24(18,19)20)14-4-13-8-9(14)11-3-12-10(8)25/h3-4,7H,1-2,5-6H2,(H,11,12,25)(H2,15,16,17)(H2,18,19,20)